5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole

C15H25ClN4 — CID 79307838

IUPAC5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole
SMILESCCC(C)CC(C)n1c(CCl)nc2c(C)nn(CC)c21
InChIInChI=1S/C15H25ClN4/c1-6-10(3)8-11(4)20-13(9-16)17-14-12(5)18-19(7-2)15(14)20/h10-11H,6-9H2,1-5H3
InChIKeyXFXFUXATPUCLNR-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.30
Rot. Bonds6

About 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole

5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole (PubChem CID 79307838) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole
PubChem CID79307838
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole
SMILESCCC(C)CC(C)n1c(CCl)nc2c(C)nn(CC)c21
InChIInChI=1S/C15H25ClN4/c1-6-10(3)8-11(4)20-13(9-16)17-14-12(5)18-19(7-2)15(14)20/h10-11H,6-9H2,1-5H3
InChIKeyXFXFUXATPUCLNR-UHFFFAOYSA-N
XLogP4.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloroethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole
CID 79286286
5-(chloromethyl)-1-ethyl-6-(3-ethylpentan-2-yl)-3-methylimidazo[4,5-d]pyrazole
CID 79308643
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-methylsulfonylpropan-2-yl)imidazo[4,5-d]pyrazole
CID 79307131
ethyl 2-[5-(chloromethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]propanoate
CID 79308332
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-pyridin-2-ylethyl)imidazo[4,5-d]pyrazole
CID 79282956
5-(chloromethyl)-1-ethyl-3-methyl-6-(1-thiophen-3-ylethyl)imidazo[4,5-d]pyrazole
CID 79307430
5-(chloromethyl)-1,3-dimethyl-6-(3-methylpentan-2-yl)imidazo[4,5-d]pyrazole
CID 79297674
5-(chloromethyl)-1,3-dimethyl-6-(2-methylbutyl)imidazo[4,5-d]pyrazole
CID 79288113
4-chloro-2-(chloromethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838350
5-(chloromethyl)-6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazole
CID 79284171
2-[5-(2-chloroethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl]-N-methylpropanamide
CID 79307122
5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79288912

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole (CID 79307838) is 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole is CCC(C)CC(C)n1c(CCl)nc2c(C)nn(CC)c21.
What is the InChIKey of 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole?
The InChIKey is XFXFUXATPUCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-6-10(3)8-11(4)20-13(9-16)17-14-12(5)18-19(7-2)15(14)20/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole has a molecular weight of 296.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-ethyl-3-methyl-6-(4-methylhexan-2-yl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79307838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).